3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C23H26N6O3 — CID 92590487

IUPAC3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cc(=O)n(C)c(=O)[nH]2)n1
InChIInChI=1S/C23H26N6O3/c1-3-6-19-25-14-16(15-8-10-24-11-9-15)21(27-19)18-7-4-5-12-29(18)22(31)17-13-20(30)28(2)23(32)26-17/h8-11,13-14,18H,3-7,12H2,1-2H3,(H,26,32)/t18-/m1/s1
InChIKeyVIHRGUOPAMAGOZ-GOSISDBHSA-N
MW434.50 g/mol
LogP2.25
Rot. Bonds5

About 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 92590487) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID92590487
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cc(=O)n(C)c(=O)[nH]2)n1
InChIInChI=1S/C23H26N6O3/c1-3-6-19-25-14-16(15-8-10-24-11-9-15)21(27-19)18-7-4-5-12-29(18)22(31)17-13-20(30)28(2)23(32)26-17/h8-11,13-14,18H,3-7,12H2,1-2H3,(H,26,32)/t18-/m1/s1
InChIKeyVIHRGUOPAMAGOZ-GOSISDBHSA-N
XLogP2.25
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92590513
2-(2-methoxy-5-methylphenyl)-1-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 92590445
3-[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 92602626
2-(2-methoxy-4-methylphenoxy)-1-[2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 110218112
[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 95802256
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110218191
4-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-propyl-5-pyridin-4-ylpyrimidine
CID 95850389
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110218333
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-[5-(3-methyl-4-pyridinyl)-2-propylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95850378
1-[3-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 110218350
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[5-(3-methyl-4-pyridinyl)-2-propylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110218142
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(2R)-2-[5-(3-methyl-4-pyridinyl)-2-propylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 92590567

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 92590487) is 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cc(=O)n(C)c(=O)[nH]2)n1.
What is the InChIKey of 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VIHRGUOPAMAGOZ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-3-6-19-25-14-16(15-8-10-24-11-9-15)21(27-19)18-7-4-5-12-29(18)22(31)17-13-20(30)28(2)23(32)26-17/h8-11,13-14,18H,3-7,12H2,1-2H3,(H,26,32)/t18-/m1/s1.
What are the key properties of 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 434.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 92590487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).